# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T02:19:52+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Org. Chem. Front.') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1552969","13.1215","0.0007","11.0922","0.0005","9.3453","0.0004","90","","90","","90","","1360.17","0.11","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C37 H26 O4 -","- C37 H26 O4 -","- C74 H52 O8 -","2","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.0843","0.0499","","","0.0969","0.1177","","","","","","1.015","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552970","14.4556","0.0017","10.033","0.0007","17.453","0.003","90","","111.716","0.017","90","","2351.6","0.6","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24.8 H24 N1.6 -","- C24.8 H24 N1.6 -","- C124 H120 N8 -","5","1.25","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","1.54184","CuKα","","0.14","0.1056","","","0.2296","0.2526","","","","","","1.027","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552971","26.28","0.002","9.4772","0.0007","9.5917","0.0008","90","","90","","90","","2388.9","0.3","290","2","290","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.109","0.0589","","","0.1248","0.1487","","","","","","1.019","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552972","6.4951","0.0015","9.549","0.002","15.501","0.004","81.333","0.005","86.707","0.005","74.351","0.005","915","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H21 B Br O P -","- C17 H21 B Br O P -","- C34 H42 B2 Br2 O2 P2 -","2","2","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0789","0.0552","","","0.1448","0.1598","","","","","","1.019","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552973","6.2364","0.0005","17.7803","0.0018","18.9588","0.0017","90","","90","","90","","2102.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B Br N O P -","- C20 H22 B Br N O P -","- C80 H88 B4 Br4 N4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0995","0.0497","","","0.1008","0.1189","","","","","","0.975","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552974","10.135","0.007","13.483","0.009","15.598","0.01","90","","90","","90","","2131","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 B O P -","- C24 H28 B O P -","- C96 H112 B4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0383","0.0355","","","0.0902","0.0924","","","","","","1.056","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552975","9.7339","0.0016","10.1445","0.0016","11.2108","0.0017","69.234","0.003","70.764","0.004","78.702","0.004","973.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Ge, Guang-Cun; Ding, Chang-Hua; Hou, Xue-Long","Palladacycle-catalyzed cascade reaction of bicyclic alkenes with alkynyl imines: synthesis of polycyclic 5H-benzo[b]azepines","Org. Chem. Front.","2014","1","4","382","","10.1039/C4QO00030G","","","0.71073","MoKα","","0.0612","0.0493","","","0.1318","0.143","","","","","","1.053","","","","has coordinates","232920","2020-10-21","18:00:00",""
"1552976","10.1946","0.0001","10.6368","0.0001","19.8674","0.0001","90","","90","","90","","2154.38","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","1","","He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu","Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity","Org. Chem. Front.","2014","1","5","473","","10.1039/C4QO00042K","","","1.54184","CuKα","","0.0291","0.029","","","0.0781","0.0783","","","","","","1.055","","","","has coordinates","232922","2020-10-21","18:00:00",""
"1552977","14.965","0.003","8.119","0.0016","13.829","0.003","90","","116.87","0.03","90","","1498.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N4 O2 -","- C16 H6 F4 N4 O2 -","- C64 H24 F16 N16 O8 -","4","1","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.0462","0.0446","","","0.1275","0.1292","","","","","","1.041","","","","has coordinates","232924","2020-10-21","18:00:00",""
"1552978","10.327","0.002","11.834","0.002","23.984","0.005","79.88","0.03","88.92","0.03","87.48","0.03","2882.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 F3 N4 O -","- C36 H23 F3 N4 O -","- C144 H92 F12 N16 O4 -","4","2","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.1848","0.1762","","","0.5008","0.5033","","","","","","3.898","","","","has coordinates","232924","2020-10-21","18:00:00",""
"1552979","13.555","0.003","8.9872","0.0018","15.716","0.003","90","","112.99","0.03","90","","1762.5","0.7","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O3 S -","- C17 H17 F3 N2 O3 S -","- C68 H68 F12 N8 O12 S4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.0593","","","0.1576","0.1672","","","","","","1.171","","","","has coordinates","232926","2020-10-21","18:00:00",""
"1552980","9.805","0.002","9.3144","0.0019","15.513","0.003","90","","97.91","0.03","90","","1403.3","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.07","","","0.1587","0.1652","","","","","","1.167","","","","has coordinates","232926","2020-10-21","18:00:00",""
"1552983","11.986","0.0005","12.2786","0.0007","16.2211","0.0009","103.393","0.005","110.555","0.005","92.801","0.004","2152.2","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 F6 N O10 P -","- C36 H48 F6 N O10 P -","- C72 H96 F12 N2 O20 P2 -","2","1","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","0.71073","MoKα","","0.1665","0.097","","","0.2891","0.3278","","","","","","1.086","","","","has coordinates,has disorder","232930","2020-10-21","18:00:00",""
"1552984","10.4663","0.0003","42.4866","0.0016","25.4339","0.0009","90","","113.902","0.003","90","","10339.9","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 F6 N O10 P -","- C39 H45 F6 N O10 P -","- C312 H360 F48 N8 O80 P8 -","8","2","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","1.54184","CuKα","","0.1859","0.1501","","","0.3841","0.4125","","","","","","1.348","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552985","9.3761","0.0009","13.3939","0.0013","16.9447","0.0017","90","","101.929","0.002","90","","2082","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 Br N2 O -","- C46 H73 Br N2 O -","- C92 H146 Br2 N4 O2 -","2","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0886","0.0546","","","0.1034","0.1123","","","","","","1.043","","","","has coordinates,has disorder","232932","2020-10-21","18:00:00",""
"1552986","14.2658","0.0009","19.7423","0.0012","17.2861","0.0013","90","","104.823","0.002","90","","4706.4","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Br6 N2 -","- C46 H70 Br6 N2 -","- C184 H280 Br24 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0425","0.0263","","","0.052","0.0565","","","","","","1.025","","","","has coordinates","232932","2020-10-21","18:00:00",""
"1552987","9.5494","0.0005","12.1924","0.0006","17.6614","0.0008","86.558","0.002","84.548","0.002","76.62","0.002","1989.92","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H70 N2 -","- C46 H70 N2 -","- C92 H140 N4 -","2","1","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0467","0.0369","","","0.091","0.0956","","","","","","1.065","","","","has coordinates","232932","2020-10-21","18:00:00",""
"1552988","17.0807","0.0005","9.587","0.0003","20.1987","0.0006","90","","93.695","0.003","90","","3300.72","0.17","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Macrocycle + axle","","- C76 H88 I N7 O6 -","- C76 H88 I N7 O6 -","- C152 H176 I2 N14 O12 -","2","1","","Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A.","Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes","Org. Chem. Front.","2014","1","5","521","","10.1039/C4QO00077C","","","1.5418","CuKα","","0.1058","0.1014","","","0.2315","0.2347","","","","","","1.117","","","","has coordinates,has disorder","232934","2020-10-21","18:00:00",""
"1552989","10.3015","0.0001","11.2459","0.0001","19.9126","0.0002","90","","90","","90","","2306.87","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun","Trienamine catalysis with linear deconjugated 3,5-dienones","Org. Chem. Front.","2014","1","5","490","","10.1039/C4QO00079J","","","1.54184","CuKα","","0.0332","0.0328","","","0.0906","0.0912","","","","","","1.08","","","","has coordinates","232936","2020-10-21","18:00:00",""
"1552991","13.6381","0.0014","10.0676","0.0011","15.0801","0.0015","90","","91.542","0.002","90","","2069.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0652","0.0513","","","0.1237","0.1343","","","","","","1.055","","","","has coordinates","232940","2020-10-21","18:00:00",""
"1552992","8.8997","0.0014","9.2955","0.0015","11.9387","0.0019","79.341","0.003","78.262","0.003","83.259","0.003","947","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O -","- C26 H19 N O -","- C52 H38 N2 O2 -","2","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0555","0.0471","","","0.1344","0.1431","","","","","","1.058","","","","has coordinates","232940","2020-10-21","18:00:00",""
"1552995","5.5702","0.0014","24.243","0.006","17.573","0.005","90","","93.744","0.01","90","","2368","1.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1013","0.0547","","","0.1105","0.1281","","","","","","0.986","","","","has coordinates","232943","2020-10-21","18:00:00",""
"1552996","11.2685","0.0019","9.1961","0.0015","20.509","0.004","90","","92.368","0.006","90","","2123.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1103","0.0614","","","0.1395","0.1581","","","","","","1.07","","","","has coordinates","232943","2020-10-21","18:00:00",""
"1552997","6.1046","0.0006","15.4141","0.0015","17.5871","0.0017","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong","Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions","Org. Chem. Front.","2014","1","8","965","","10.1039/C4QO00134F","","","0.71073","MoKα","","0.044","0.0362","","","0.0889","0.0936","","","","","","1.05","","","","has coordinates","232945","2020-10-21","18:00:00",""
"1552999","10.354","0.004","10.811","0.004","18.781","0.007","77.136","0.005","88.021","0.005","64.81","0.004","1850.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl6 O9 Ti3 -","- C24 H48 Cl6 O9 Ti3 -","- C48 H96 Cl12 O18 Ti6 -","2","1","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.0938","0.0516","","","0.1046","0.1131","","","","","","1.003","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553000","13.085","0.005","12.063","0.005","23.777","0.009","90","","90","","90","","3753","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Cl6 O6 Ti2 -","- C30 H44 Cl6 O6 Ti2 -","- C120 H176 Cl24 O24 Ti8 -","4","0.5","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.1282","0.0641","","","0.1683","0.1906","","","","","","1.001","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553001","7.2517","0.0001","14.3878","0.0002","24.292","0.0004","90","","90","","90","","2534.53","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 N O3 Se -","- C27 H31 N O3 Se -","- C108 H124 N4 O12 Se4 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0398","0.0349","","","0.0821","0.0841","","","","","","0.994","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553002","4.3822","0.0001","7.7125","0.0002","19.0393","0.0004","90","","90","","90","","643.48","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0392","0.0382","","","0.0933","0.0957","","","","","","1.109","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553003","12.818","0.003","14.788","0.003","16.847","0.003","72.67","0.03","86.64","0.03","84.12","0.03","3031.1","1.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H54 B Cl8 F4 N O P2 Ru -","- C62 H54 B Cl8 F4 N O P2 Ru -","- C124 H108 B2 Cl16 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0776","0.0598","","","0.1792","0.218","","","","","","0.974","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553004","13.1474","0.0008","13.1912","0.0007","20.2329","0.0012","80.722","0.005","87.504","0.005","63.196","0.006","3089.3","0.4","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C58 H54 B Cl10 F4 N O P2 Ru -","- C58 H54 B Cl10 F4 N O P2 Ru -","- C116 H108 B2 Cl20 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0788","0.0619","","","0.1691","0.1808","","","","","","1.138","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553005","13.0587","0.0004","25.8151","0.0007","14.6635","0.0004","90","","95.876","0.003","90","","4917.3","0.2","173","","173","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Cl4 F4 N O P2 Ru -","- C51 H46 B Cl4 F4 N O P2 Ru -","- C204 H184 B4 Cl16 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0915","0.0712","","","0.1618","0.1736","","","","","","1.001","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553006","23.3968","0.0008","10.7057","0.0004","19.1358","0.0007","90","","90.758","0.003","90","","4792.7","0.3","173","","173","","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C198 H180 B4 Cl20 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.056","0.0448","","","0.1173","0.1221","","","","","","1.355","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553008","6.7701","0.0015","11.166","0.003","17.891","0.004","74.17","0.005","82.524","0.006","85.51","0.006","1288.8","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O5 -","- C26 H31 N3 O5 -","- C52 H62 N6 O10 -","2","1","","Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro","N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates","Org. Chem. Front.","2014","1","8","914","","10.1039/C4QO00156G","","","0.71075","MoKα","","","0.0608","","","","0.1512","","","","","","1.022","","","","has coordinates","232958","2020-10-21","18:00:00",""
"1553009","5.9442","0.001","6.7813","0.0011","13.014","0.002","91.341","0.003","92.608","0.003","105.719","0.003","504.1","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","1","0.5","","Tian, Bing; Liu, Qiang; Tong, Xiaofeng; Tian, Ping; Lin, Guo-Qiang","Copper(i)-catalyzed enantioselective hydroboration of cyclopropenes: facile synthesis of optically active cyclopropylboronates","Org. Chem. Front.","2014","1","9","1116","","10.1039/C4QO00157E","","","0.71073","MoKα","","0.0512","0.0424","","","0.1109","0.1174","","","","","","1.041","","","","has coordinates","232959","2020-10-21","18:00:00",""
"1553010","10.3013","0.0015","13.0206","0.0018","13.9427","0.0018","117.359","0.003","105.117","0.003","95.85","0.003","1548.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Br N2 O2 S -","- C37 H27 Br N2 O2 S -","- C74 H54 Br2 N4 O4 S2 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0952","0.056","","","0.1436","0.1669","","","","","","1.017","","","","has coordinates,has disorder","232961","2020-10-21","18:00:00",""
"1553011","12.32","0.0009","12.6141","0.001","21.9831","0.0017","90","","93.771","0.002","90","","3408.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 O Si2 -","- C31 H44 N2 O Si2 -","- C124 H176 N8 O4 Si8 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0824","0.0516","","","0.1329","0.1446","","","","","","1.003","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553012","11.876","0.004","7.462","0.003","24.973","0.008","90","","90","","90","","2213.1","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.08","0.056","","","0.1394","0.1549","","","","","","1.079","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553013","12.938","0.004","17.204","0.005","18.135","0.006","82.713","0.005","85.701","0.004","70.712","0.004","3777","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 Br N2 O3 Si2 -","- C33 H47 Br N2 O3 Si2 -","- C132 H188 Br4 N8 O12 Si8 -","4","2","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.2878","0.0926","","","0.2264","0.3316","","","","","","0.93","","","","has coordinates,has disorder","232961","2020-10-21","18:00:00",""
"1553014","13.9802","0.0012","13.6497","0.0011","16.6352","0.0013","90","","104.443","0.002","90","","3074.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Br N2 O2 S -","- C33 H35 Br N2 O2 S -","- C132 H140 Br4 N8 O8 S4 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0656","0.0447","","","0.1059","0.1164","","","","","","1.033","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553015","9.4812","0.0019","10.0987","0.0019","13.636","0.003","74.849","0.005","80.124","0.005","67.332","0.004","1159.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.1022","0.0498","","","0.1225","0.1466","","","","","","0.949","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553016","24.855","0.006","9.629","0.002","15.692","0.004","90","","96.85","0.005","90","","3728.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C152 H120 Br8 F24 N8 O32 -","8","2","","Sang, Rui; Tang, Xiang-Ying; Shi, Min","Ozonation of methylenecyclopropanes","Org. Chem. Front.","2014","1","7","770","","10.1039/C4QO00160E","","","0.71073","MoKα","","0.1349","0.0674","","","0.1646","0.2046","","","","","","0.963","","","","has coordinates","232964","2020-10-21","18:00:00",""
"1553018","10.1723","0.0008","19.9258","0.0016","10.4443","0.0009","90","","90.467","0.002","90","","2116.9","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N2 O5 -","- C22 H21 N2 O5 -","- C88 H84 N8 O20 -","4","2","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","0.71073","MoKα","","0.0664","0.0645","","","0.1872","0.191","","","","","","1.154","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553019","21.9204","0.0005","21.9204","0.0005","14.1057","0.0004","90","","90","","90","","6777.8","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H25 N6 O8 S2 -","- C32 H25 N6 O8 S2 -","- C256 H200 N48 O64 S16 -","8","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.1102","0.0941","","","0.2457","0.2633","","","","","","1.036","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553020","11.2563","0.0003","13.065","0.0003","14.4176","0.0004","87.383","0.002","69.786","0.002","66.908","0.001","1820.34","0.09","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl4 N6 O8 S2 -","- C34 H28 Cl4 N6 O8 S2 -","- C68 H56 Cl8 N12 O16 S4 -","2","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.0536","0.0468","","","0.1269","0.1399","","","","","","1.092","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553021","10.723","0.008","13.108","0.009","13.974","0.011","90","","100.869","0.008","90","","1929","2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Fe N4 -","- C42 H48 Cl Fe N4 -","- C84 H96 Cl2 Fe2 N8 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0895","0.0614","","","0.154","0.1777","","","","","","1.115","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553022","9.3521","0.0009","23.226","0.002","17.0545","0.0016","90","","97.944","0.002","90","","3668.9","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Cl Fe N3 -","- C41 H55 Cl Fe N3 -","- C164 H220 Cl4 Fe4 N12 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0816","0.0428","","","0.0989","0.1139","","","","","","1.039","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553023","11.2282","0.0014","19.506","0.002","16.892","0.002","90","","97.31","0.002","90","","3669.6","0.7","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0928","0.051","","","0.1262","0.1519","","","","","","1.009","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553024","12.8079","0.0012","13.0473","0.0012","25.151","0.002","93.467","0.002","102.677","0.002","109.051","0.002","3835.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H84 B F24 Fe N2 O -","- C76 H84 B F24 Fe N2 O -","- C152 H168 B2 F48 Fe2 N4 O2 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0792","0.0527","","","0.1298","0.1484","","","","","","1.007","","","","has coordinates,has disorder","232971","2020-10-21","18:00:00",""
"1553025","9.91","0.0003","12.6331","0.0004","13.0734","0.0004","90.23","0.001","111.217","0.001","111.642","0.001","1400.25","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O2 S -","- C32 H33 N5 O2 S -","- C64 H66 N10 O4 S2 -","2","1","","Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo","A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour","Org. Chem. Front.","2014","1","9","1083","","10.1039/C4QO00185K","","","0.71073","MoKα","","0.0586","0.0401","","","0.0982","0.1145","","","","","","1.031","","","","has coordinates","232973","2020-10-21","18:00:00",""
"1553026","6.9068","0.0005","34.826","0.002","20.4959","0.0011","90","","96.227","0.006","90","","4900.9","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 B O2 P -","- C13.5 H15 B0.5 O P0.5 -","- C108 H120 B4 O8 P4 -","8","2","","Wei, Junnian; Zhang, Yongliang; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and applications of 1-iodo-4-MgCl-1,3-dienes and 1-iodovinyl phenylmagnesium chlorides","Org. Chem. Front.","2014","1","8","983","","10.1039/C4QO00191E","","","1.54184","CuKα","","0.2312","0.0928","","","0.1582","0.2427","","","","","","0.947","","","","has coordinates","232974","2020-10-21","18:00:00",""
"1553027","9.398","0.004","10.644","0.004","18.906","0.008","90","","100.921","0.006","90","","1857","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Zhang, Li; Wang, Huiqing; Yang, Bo; Fan, Renhua","Imino exchange reaction in a dearomatization strategy: synthesis of N-acyl diarylamines and phenothiazines from two anilines","Org. Chem. Front.","2014","1","9","1055","","10.1039/C4QO00201F","","","0.71073","MoKα","","0.1096","0.0616","","","0.1495","0.172","","","","","","0.909","","","","has coordinates,has disorder","232976","2020-10-21","18:00:00",""
"1553028","8.012","0.002","13.115","0.004","15.516","0.005","102.467","0.003","104.463","0.004","98.556","0.003","1505.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 F3 N3 O5 S -","- C33 H30 F3 N3 O5 S -","- C66 H60 F6 N6 O10 S2 -","2","1","","Lei, Chuan-Hu; Zhao, Liang; Wang, De-Xian; Zhu, Jieping; Wang, Mei-Xiang","Functionalized imidazoliniums from the three-component domino reaction of N-formylmethylcarboxamides with amines and isocyanides","Org. Chem. Front.","2014","1","8","909","","10.1039/C4QO00203B","","","0.71073","MoKα","","0.053","0.0491","","","0.1246","0.1286","","","","","","1.112","","","","has coordinates","232977","2020-10-21","18:00:00",""
"1553029","9.0055","0.0013","15.94","0.002","14.422","0.002","90","","90.178","0.003","90","","2070.2","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 Fe N2 -","- C20 H26 Cl2 Fe N2 -","- C80 H104 Cl8 Fe4 N8 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0996","0.0521","","","0.1","0.1152","","","","","","1.074","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553030","12.5511","0.001","14.2462","0.0012","17.4859","0.0014","90","","98.21","0.002","90","","3094.5","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 Fe N2 P -","- C32 H35 Cl2 Fe N2 P -","- C128 H140 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0546","0.0342","","","0.0842","0.0926","","","","","","1.082","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553031","17.631","0.005","10.038","0.003","16.442","0.004","90","","111.334","0.005","90","","2710.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 Fe N2 P -","- C29 H29 Cl2 Fe N2 P -","- C116 H116 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.1291","0.0744","","","0.1682","0.1931","","","","","","1.093","","","","has coordinates,has disorder","232979","2020-10-21","18:00:00",""
"1553032","11.245","0.006","22.954","0.012","26.071","0.013","90","","100.618","0.008","90","","6614","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C320 H320 N32 O16 -","16","4","","Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng","Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i)","Org. Chem. Front.","2014","1","9","1045","","10.1039/C4QO00209A","","","0.71073","MoKα","","0.1339","0.0399","","","0.0674","0.0812","","","","","","0.698","","","","has coordinates","232981","2020-10-21","18:00:00",""
"1553033","13.204","0.0002","13.204","0.0002","11.5028","0.0001","90","","90","","120","","1736.78","0.04","100","2","99.99","","","","","","","","","4","P 32","P 32","145","","","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C63 H84 N12 O3 -","3","1","","Ma, Gaoyuan; Sibi, Mukund P.","Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts","Org. Chem. Front.","2014","1","10","1152","","10.1039/C4QO00210E","","","1.54178","CuKα","","0.023","0.0226","","","0.0579","0.0582","","","","","","1.056","","","","has coordinates","232982","2020-10-21","18:00:00",""
"1553034","9.4812","0.0007","8.1107","0.0006","13.3671","0.0009","90","","106.9","0.007","90","","983.53","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Br2 N O3 S -","- C21 H17 Br2 N O3 S -","- C42 H34 Br4 N2 O6 S2 -","2","1","","Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans","Org. Chem. Front.","2014","1","10","1205","","10.1039/C4QO00223G","","","0.7107","MoKα","","0.0816","0.0628","","","0.1638","0.1843","","","","","","1.013","","","","has coordinates","232984","2020-10-21","18:00:00",""
"1553035","9.9037","0.0007","21.156","0.0015","12.948","0.001","90","","94.929","0.002","90","","2702.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br Cl2 P -","- C29 H30 Br Cl2 P -","- C116 H120 Br4 Cl8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0789","0.0524","","","0.134","0.149","","","","","","1.035","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553036","10.419","0.006","12.707","0.008","18.309","0.011","90","","103.667","0.013","90","","2355","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br O P -","- C27 H26 Br O P -","- C108 H104 Br4 O4 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0472","0.0366","","","0.093","0.0981","","","","","","1.022","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553037","10.9121","0.0012","17.4195","0.0019","12.67","0.0015","90","","100.809","0.002","90","","2365.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br O2 P -","- C28 H26 Br O2 P -","- C112 H104 Br4 O8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0728","0.0419","","","0.1039","0.1169","","","","","","1.016","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553038","5.3668","0.0008","9.6287","0.0015","18.804","0.003","82.874","0.003","86.417","0.004","82.471","0.004","954.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 F3 O -","- C24 H19 F3 O -","- C48 H38 F6 O2 -","2","1","","Ji, Yun-Long; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Copper-catalyzed tandem trifluoromethylation/cyclization of internal alkynes","Org. Chem. Front.","2014","1","11","1280","","10.1039/C4QO00240G","","","0.71073","MoKα","","0.0872","0.0619","","","0.1801","0.2022","","","","","","1.053","","","","has coordinates","232988","2020-10-21","18:00:00",""
"1553039","13.7485","0.0011","14.2439","0.0012","16.1369","0.0012","96.785","0.007","111.858","0.007","102.58","0.007","2792.4","0.4","145.2","0.3","145.2","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 N10 O6 Zn2 -","- C44 H54 Cl2 N10 O6 Zn2 -","- C88 H108 Cl4 N20 O12 Zn4 -","2","1","","Xu, Hao-Ran; Li, Kun; Wang, Ming-Qi; Wang, Bo-Lin; Wang, Xin; Yu, Xiao-Qi","The dicyclen‒TPE zinc complex as a novel fluorescent ensemble for nanomolar pyrophosphate sensing in 100% aqueous solution","Org. Chem. Front.","2014","1","11","1276","","10.1039/C4QO00243A","","","0.71073","MoKα","","0.147","0.1131","","","0.3085","0.3414","","","","","","1.074","","","","has coordinates","232990","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1556386","9.2391","0.0003","17.1518","0.0006","22.2035","0.0006","90","","90","","90","","3518.53","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N -","- C21 H27 N -","- C168 H216 N8 -","8","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0676","0.0479","","","0.1184","0.132","","","","","","1.026","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556387","13.1716","0.0007","8.3809","0.0005","20.39","0.0012","90","","127.363","0.004","90","","1789","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0875","0.0533","","","0.1332","0.1538","","","","","","1.022","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556388","9.129","0.0018","12.58","0.003","15.035","0.003","81.14","0.03","73.69","0.03","70.31","0.03","1556.9","0.7","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1273","0.0554","","","0.118","0.1309","","","","","","1.01","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556389","35.265","0.007","19.026","0.004","21.174","0.004","90","","122.27","0.03","90","","12012","6","143","2","143","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 -","- C32 H56 -","- C512 H896 -","16","2","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1197","0.0548","","","0.1098","0.1208","","","","","","0.987","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556390","11.409","0.002","8.8005","0.0018","24.458","0.005","90","","102.84","0.03","90","","2394.3","0.9","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.087","0.0744","","","0.1312","0.137","","","","","","1.217","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556391","9.1769","0.0018","10.289","0.002","14.62","0.003","90","","90","","90","","1380.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.0534","0.0499","","","0.121","0.1232","","","","","","1.168","","","","has coordinates,has disorder","244430","2020-10-21","18:00:00",""
"1556392","12.6639","0.0004","16.9311","0.0006","13.604","0.0004","90","","92.886","0.003","90","","2913.19","0.16","180.15","","180.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 -","- C40 H36 -","- C160 H144 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.059","0.0436","","","0.0997","0.109","","","","","","1.02","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556393","9.466","0.006","12.4249","0.0008","13.3396","0.0011","90","","90","","90","","1568.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong; Cheng, Jin-Pei","Chiral primary amine catalysed asymmetric conjugate addition of azoles to α-substituted vinyl ketones","Org. Chem. Front.","2014","1","1","68","","10.1039/C3QO00027C","","","0.71073","MoKα","","0.0299","0.0286","","","0.0677","0.0684","","","","","","1.115","","","","has coordinates","244431","2020-10-21","18:00:00",""
"1556401","31.9644","0.0012","18.8421","0.0007","19.9426","0.0008","90","","93.865","0.003","90","","11983.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.7 H72.25 F12 N9.1 O9.4 P2 -","- C52.7 H67.5 F12 N9.1 O9.4 P2 -","- C421.6 H540 F96 N72.8 O75.2 P16 -","8","2","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.0948","0.0747","","","0.1979","0.2139","","","","","","1.006","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556402","13.9167","0.0006","25.8857","0.0009","30.7364","0.0011","90","","96.611","0.003","90","","10999","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94.2 H108.4 F36 N14.1 O13.8 P6 -","- C94.2 H108 F36 N14.1 O13.8 P6 -","- C376.8 H432 F144 N56.4 O55.2 P24 -","4","1","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.1324","0.1088","","","0.2863","0.3083","","","","","","1.036","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556403","8.7371","0.0017","9.2269","0.0018","12.186","0.002","89.9","0.03","72.14","0.03","80.18","0.03","920","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Peng, Lingling; Zhang, Xiu; Ma, Jie; Wang, Jianbo","Ru(ii)-catalyzed rearrangement of the allenic sulfide bearing propargyl moiety: efficient formation of benzene derivatives","Org. Chem. Front.","2014","1","3","235","","10.1039/C4QO00001C","","","0.71073","MoKα","","0.0909","0.0533","","","0.1242","0.136","","","","","","1.052","","","","has coordinates","244780","2020-10-21","18:00:00",""
"1556404","15.3067","0.0009","12.1443","0.0007","18.1692","0.001","90","","90","","90","","3377.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.068","0.0379","","","0.0804","0.0943","","","","","","1.026","","","","has coordinates","244781","2020-10-21","18:00:00",""
"1556405","12.2051","0.0011","18.0249","0.0018","8.7754","0.0008","90","","110.387","0.002","90","","1809.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 I N3 -","- C21 H16 I N3 -","- C84 H64 I4 N12 -","4","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.0543","0.0392","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","244781","2020-10-21","18:00:00",""